| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.6 | Very low | 47 | Very low | 249 Ų | 249 | 145 Ų | 145 | 100% | 1.227 | 84% | 0.843 | S | S | * | * | 0 | 89.5 | 0 | -70.2 | -70.4 | -162.9 | 0 | 0 | 108.2 | |||||
| 2 | A | 39.8 | Very low | 47.3 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 88% | 0.884 | 84% | 0.844 | S | S | * | * | trans | -92.4 | 138.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | A | 46.7 | Very low | 47.3 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | trans | -143.5 | 101.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | A | 46.9 | Very low | 47.5 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 79% | 0.793 | 84% | 0.844 | S | S | * | * | trans | -71.3 | 137.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 5 | V | 51.4 | Low | 47.6 | Very low | 147 Ų | 147 | 151 Ų | 151 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -122.9 | 133 | 167.4 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | V | 47.4 | Very low | 47.6 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 69% | 0.685 | 84% | 0.844 | S | S | * | * | trans | -90.2 | 138.1 | -151 | 166.9 | 0 | 0 | 0 | 0 | 111.8 | R8 | V6-R8 HydrophobicContact CG1-CG 4.34Š| ||
| 7 | R | 48.7 | Very low | 47.4 | Very low | 222 Ų | 222 | 154 Ų | 154 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | -68 | 122.5 | 167.5 | -161.3 | 174.6 | 155.4 | 167 | -6.5 | 109.3 | ||||
| 8 | R | 44.7 | Very low | 47.1 | Very low | 229 Ų | 229 | 157.8 Ų | 157.8 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -131.6 | 110.9 | 163.3 | -82.3 | -169.3 | -177.8 | -132 | 1.2 | 111.2 | V6 | V6-R8 HydrophobicContact CG1-CG 4.34Š| ||
| 9 | L | 50.7 | Low | 46.9 | Very low | 154 Ų | 154 | 158.6 Ų | 158.6 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | trans | -79.8 | 134.4 | 158.3 | -68.6 | 166.1 | 0 | 0 | 0 | 107.6 | ||||
| 10 | S | 49.7 | Very low | 46.8 | Very low | 115 Ų | 115 | 156.4 Ų | 156.4 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -143.4 | 100.2 | 164.9 | 43.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | G | 46.3 | Very low | 46.6 | Very low | 66 Ų | 66 | 151.8 Ų | 151.8 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | trans | -81.4 | -171.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 12 | L | 50.7 | Low | 46.4 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 83.2 | 119 | 176.2 | -60 | 174.8 | 0 | 0 | 0 | 112.9 | ||||
| 13 | L | 47.5 | Very low | 46.8 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | cis | -167.2 | 162.4 | 21.9 | -87.2 | 146.2 | 0 | 0 | 0 | 110.3 | ||||
| 14 | R | 49.3 | Very low | 46.9 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | 111.9 | 146.7 | 153.6 | -68.6 | -175.7 | 167.7 | -171.6 | -2.2 | 116.9 | ||||
| 15 | P | 50.3 | Low | 46.9 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -125.5 | 153 | -49.3 | 29.5 | -12.4 | 0 | 0 | 0 | 111.2 | Y17 | P15-Y17 PolarHBondContact O-N 2.76Š| ||
| 16 | L | 46.5 | Very low | 46.7 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -64.9 | 113.3 | 173.9 | -66.9 | 167.7 | 0 | 0 | 0 | 110.2 | R18 | L16-R18 PolarHBondContact O-N 3.11Š| ||
| 17 | Y | 44.7 | Very low | 46.7 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -74.1 | 107.2 | 166 | -169.9 | -80.4 | 0 | 0 | 0 | 108.8 | P15 F19 | P15-Y17 PolarHBondContact O-N 2.76Å; Y17-F19 HydrophobicContact CD1-CB 4.44Å; Y17-F19 AromaticContact CD1-CD2 3.2Å; Y17-F19 HydrophobicContact CD1-CD2 3.2Å; Y17-F19 AromaticContact CD1-CE2 3.34Å; Y17-F19 HydrophobicContact CD1-CE2 3.34Å; Y17-F19 AromaticContact CD1-CG 3.83Å; Y17-F19 HydrophobicContact CD1-CG 3.83Å; Y17-F19 HydrophobicContact CD1-CZ 4.07Å; Y17-F19 HydrophobicContact CE1-CB 4.26Å; Y17-F19 AromaticContact CE1-CD1 3.65Å; Y17-F19 HydrophobicContact CE1-CD1 3.65Å; Y17-F19 AromaticContact CE1-CD2 3.11Å; Y17-F19 HydrophobicContact CE1-CD2 3.11Å; Y17-F19 AromaticContact CE1-CE1 3.59Å; Y17-F19 HydrophobicContact CE1-CE1 3.59Å; Y17-F19 AromaticContact CE1-CE2 3.03Å; Y17-F19 HydrophobicContact CE1-CE2 3.03Å; Y17-F19 AromaticContact CE1-CG 3.41Å; Y17-F19 HydrophobicContact CE1-CG 3.41Å; Y17-F19 VanDerWaalsContact CE1-CG 3.41Å; Y17-F19 AromaticContact CE1-CZ 3.28Å; Y17-F19 HydrophobicContact CE1-CZ 3.28Å; Y17-F19 HydrophobicContact CG-CD2 4.49Å; Y17-F19 HydrophobicContact CG-CE2 4.44Å; Y17-F19 AromaticContact CZ-CE2 3.91Å; Y17-F19 AromaticContact CZ-CZ 3.77Å; Y17-F19 PolarHBondContact O-N 2.87Å | ||
| 18 | R | 41.3 | Very low | 46.7 | Very low | 223 Ų | 223 | 151.6 Ų | 151.6 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -82.1 | 96.5 | 174.6 | -158.6 | 176.5 | -158.4 | 165.6 | 4 | 108.2 | L16 V20 | L16-R18 PolarHBondContact O-N 3.11Å; R18-V20 HydrophobicContact CG-CG2 4.29Å; R18-V20 PolarHBondContact O-N 2.81Å; R18-V20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | F | 43.5 | Very low | 46.8 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -73 | 97.4 | 164.6 | -95.4 | -73.3 | 0 | 0 | 0 | 108.4 | Y17 | Y17-F19 HydrophobicContact CD1-CB 4.44Å; Y17-F19 AromaticContact CD1-CD2 3.2Å; Y17-F19 HydrophobicContact CD1-CD2 3.2Å; Y17-F19 AromaticContact CD1-CE2 3.34Å; Y17-F19 HydrophobicContact CD1-CE2 3.34Å; Y17-F19 AromaticContact CD1-CG 3.83Å; Y17-F19 HydrophobicContact CD1-CG 3.83Å; Y17-F19 HydrophobicContact CD1-CZ 4.07Å; Y17-F19 HydrophobicContact CE1-CB 4.26Å; Y17-F19 AromaticContact CE1-CD1 3.65Å; Y17-F19 HydrophobicContact CE1-CD1 3.65Å; Y17-F19 AromaticContact CE1-CD2 3.11Å; Y17-F19 HydrophobicContact CE1-CD2 3.11Å; Y17-F19 AromaticContact CE1-CE1 3.59Å; Y17-F19 HydrophobicContact CE1-CE1 3.59Å; Y17-F19 AromaticContact CE1-CE2 3.03Å; Y17-F19 HydrophobicContact CE1-CE2 3.03Å; Y17-F19 AromaticContact CE1-CG 3.41Å; Y17-F19 HydrophobicContact CE1-CG 3.41Å; Y17-F19 VanDerWaalsContact CE1-CG 3.41Å; Y17-F19 AromaticContact CE1-CZ 3.28Å; Y17-F19 HydrophobicContact CE1-CZ 3.28Å; Y17-F19 HydrophobicContact CG-CD2 4.49Å; Y17-F19 HydrophobicContact CG-CE2 4.44Å; Y17-F19 AromaticContact CZ-CE2 3.91Å; Y17-F19 AromaticContact CZ-CZ 3.77Å; Y17-F19 PolarHBondContact O-N 2.87Å | ||
| 20 | V | 44.8 | Very low | 46.4 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 119.2 | 161.1 | 173.9 | 0 | 0 | 0 | 0 | 107 | R18 | R18-V20 HydrophobicContact CG-CG2 4.29Å; R18-V20 PolarHBondContact O-N 2.81Å; R18-V20 VanDerWaalsContact O-N 3.11Å | ||
| 21 | G | 43.4 | Very low | 46 | Very low | 59 Ų | 59 | 149.5 Ų | 149.5 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | -80 | 157.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 22 | T | 40.4 | Very low | 45.9 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 149.2 | 137.2 | 160.5 | 46.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 23 | S | 46.9 | Very low | 45.7 | Very low | 113 Ų | 113 | 151.4 Ų | 151.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | cis | -162.6 | 168.5 | -0 | -83.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 24 | S | 50.6 | Low | 45.5 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -35.3 | 149.1 | 179.7 | -176.4 | 0 | 0 | 0 | 0 | 118.1 | Q26 | S24-Q26 PolarHBondContact O-N 2.92Š| ||
| 25 | P | 45.7 | Very low | 45.4 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 133.1 | 167 | 28.9 | -33.8 | 0 | 0 | 0 | 111.3 | I27 | P25-I27 PolarHBondContact O-N 3.2Š|
| 26 | Q | 47.7 | Very low | 45.1 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.3 | 173.2 | -82.6 | -80.7 | -11.5 | 0 | 0 | 111.2 | S24 R28 | S24-Q26 PolarHBondContact O-N 2.92Å; Q26-R28 PolarHBondContact O-N 2.97Å |
| 27 | I | 48.3 | Very low | 45.5 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 116.2 | 165.9 | -68.5 | 171.4 | 0 | 0 | 0 | 106.7 | P25 Q29 | P25-I27 PolarHBondContact O-N 3.2Å; I27-Q29 PolarHBondContact O-N 3.15Å; I27-Q29 VanDerWaalsContact O-N 3.09Å |
| 28 | R | 46.9 | Very low | 45.7 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | -60.1 | 109.6 | 169.4 | -73.8 | -174.1 | 171.1 | -156.5 | -2.7 | 108.9 | Q26 L30 | Q26-R28 PolarHBondContact O-N 2.97Å; R28-L30 PolarHBondContact O-N 3.43Å | ||
| 29 | Q | 47.2 | Very low | 46 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -75.9 | 117 | 164.6 | -65 | -157.6 | 4.7 | 0 | 0 | 108.3 | I27 S31 | I27-Q29 PolarHBondContact O-N 3.15Å; I27-Q29 VanDerWaalsContact O-N 3.09Å; Q29-S31 PolarHBondContact O-N 2.8Å | ||
| 30 | L | 43 | Very low | 46.2 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -71 | 108.8 | 167.1 | -76.6 | 162.3 | 0 | 0 | 0 | 107.4 | R28 G32 | R28-L30 PolarHBondContact O-N 3.43Å; L30-G32 PolarHBondContact O-N 2.85Å | ||
| 31 | S | 41.4 | Very low | 46.1 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -64.5 | 97.4 | 168 | 52.5 | 0 | 0 | 0 | 0 | 109.2 | Q29 F33 | Q29-S31 PolarHBondContact O-N 2.8Å; S31-F33 PolarHBondContact O-N 2.98Å | ||
| 32 | G | 44.9 | Very low | 46.5 | Very low | 67 Ų | 67 | 145.7 Ų | 145.7 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -69.3 | 112.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L30 I34 | L30-G32 PolarHBondContact O-N 2.85Å; G32-I34 PolarHBondContact O-N 3.17Å | ||
| 33 | F | 46.2 | Very low | 46.8 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -62.3 | 96.4 | 171.1 | -82.6 | -93.7 | 0 | 0 | 0 | 109.6 | S31 R35 | S31-F33 PolarHBondContact O-N 2.98Å; F33-R35 PolarHBondContact O-N 2.94Å | ||
| 34 | I | 43.5 | Very low | 46.9 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -80.6 | 102.2 | 159.1 | -61 | -178 | 0 | 0 | 0 | 106.2 | G32 A36 | G32-I34 PolarHBondContact O-N 3.17Å; I34-A36 PolarHBondContact O-N 2.8Å | ||
| 35 | R | 46.3 | Very low | 46.6 | Very low | 215 Ų | 215 | 145.3 Ų | 145.3 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -65.2 | 97 | 170.9 | -175.4 | -178.2 | -172.9 | -175.5 | 1.8 | 108.6 | F33 | F33-R35 PolarHBondContact O-N 2.94Š| ||
| 36 | A | 43.6 | Very low | 47 | Very low | 89 Ų | 89 | 144.3 Ų | 144.3 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -92.9 | 115.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | I34 | I34-A36 PolarHBondContact O-N 2.8Š| ||
| 37 | Q | 55 | Low | 46.9 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | trans | -77.6 | 140.2 | 167.3 | -62.7 | -160.1 | -9.1 | 0 | 0 | 109.4 | ||||
| 38 | P | 50.1 | Low | 46.9 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -90.6 | 111.9 | 154.9 | 9.1 | 9.2 | 0 | 0 | 0 | 108.9 | ||||
| 39 | L | 46.8 | Very low | 47.2 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -75.9 | 128.8 | 161.3 | -79.8 | 158.2 | 0 | 0 | 0 | 108.4 | ||||
| 40 | F | 46.7 | Very low | 47.3 | Very low | 212 Ų | 212 | 131.3 Ų | 131.3 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -65.7 | 135.8 | 159.8 | -68 | -88.5 | 0 | 0 | 0 | 108.7 | ||||
| 41 | G | 44.3 | Very low | 48 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -179.9 | 104.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 42 | T | 50.4 | Low | 48.3 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -55.1 | 146.9 | 177.1 | 34.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 43 | A | 48.3 | Very low | 48.7 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -58.9 | 136.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 44 | T | 47.7 | Very low | 49 | Very low | 141 Ų | 141 | 133 Ų | 133 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -141.6 | 133.3 | 153.1 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 45 | A | 44.9 | Very low | 49.4 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 24.6 | 124.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 46 | A | 53.4 | Low | 49.7 | Very low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -61.6 | 136.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 47 | V | 46.2 | Very low | 50.3 | Low | 141 Ų | 141 | 128 Ų | 128 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -127.8 | 109.8 | 157.7 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | A49 | V47-A49 PolarHBondContact O-N 3.08Å; V47-A49 VanDerWaalsContact O-N 3.15Å | ||
| 48 | C | 48.9 | Very low | 50.3 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | trans | -69.5 | 104.2 | 176.5 | -68.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 49 | A | 53.3 | Low | 50.7 | Low | 81 Ų | 81 | 124.6 Ų | 124.6 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -84.1 | 136.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V47 V51 | V47-A49 PolarHBondContact O-N 3.08Å; V47-A49 VanDerWaalsContact O-N 3.15Å; A49-V51 PolarHBondContact O-N 3.22Å | ||
| 50 | P | 49.2 | Very low | 51.4 | Low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 122.9 | 179.6 | 25.6 | -32.4 | 0 | 0 | 0 | 110 | R52 | P50-R52 PolarHBondContact O-N 3.33Š| ||
| 51 | V | 56.2 | Low | 52.1 | Low | 136 Ų | 136 | 124.8 Ų | 124.8 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -59.4 | 105.2 | 173.1 | 178 | 0 | 0 | 0 | 0 | 107.7 | A49 A53 | A49-V51 PolarHBondContact O-N 3.22Å; V51-A53 VanDerWaalsContact C-N 3.33Å; V51-A53 PolarHBondContact O-N 3.15Å | ||
| 52 | R | 49.2 | Very low | 53.6 | Low | 230 Ų | 230 | 125 Ų | 125 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | trans | -64.5 | 99.9 | 165.2 | -76 | -175.1 | 174.9 | 168.9 | -0.7 | 107 | P50 T54 | P50-R52 PolarHBondContact O-N 3.33Å; R52-T54 PolarHBondContact O-N 3.32Å | ||
| 53 | A | 52.7 | Low | 54.5 | Low | 88 Ų | 88 | 124.6 Ų | 124.6 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -62.9 | 89 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | V51 V55 | V51-A53 VanDerWaalsContact C-N 3.33Å; V51-A53 PolarHBondContact O-N 3.15Å; A53-V55 PolarHBondContact O-N 3.27Å; A53-V55 VanDerWaalsContact O-N 3.11Å | ||
| 54 | T | 52.6 | Low | 55.2 | Low | 123 Ų | 123 | 125.9 Ų | 125.9 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -65.1 | 111.5 | 162.3 | 43.2 | 0 | 0 | 0 | 0 | 105.5 | R52 A56 | R52-T54 PolarHBondContact O-N 3.32Å; T54-A56 PolarHBondContact O-N 2.98Å | ||
| 55 | V | 51.3 | Low | 56.3 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | trans | -61.8 | 91.5 | 167.9 | 179.6 | 0 | 0 | 0 | 0 | 105.6 | A53 L57 | A53-V55 PolarHBondContact O-N 3.27Å; A53-V55 VanDerWaalsContact O-N 3.11Å; V55-L57 VanDerWaalsContact C-N 3.3Å; V55-L57 PolarHBondContact O-N 2.82Å | ||
| 56 | A | 53.1 | Low | 57.6 | Low | 82 Ų | 82 | 128.1 Ų | 128.1 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -65.8 | 97 | 175.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | T54 T58 | T54-A56 PolarHBondContact O-N 2.98Å; A56-T58 VanDerWaalsContact C-N 3.34Å; A56-T58 PolarHBondContact O-N 3.04Å | ||
| 57 | L | 55.4 | Low | 58.5 | Low | 154 Ų | 154 | 126.6 Ų | 126.6 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | trans | -57.1 | 103.5 | 169.6 | -69.2 | 170.7 | 0 | 0 | 0 | 106.4 | V55 | V55-L57 VanDerWaalsContact C-N 3.3Å; V55-L57 PolarHBondContact O-N 2.82Å | ||
| 58 | T | 55.9 | Low | 59.8 | Low | 106 Ų | 106 | 121.4 Ų | 121.4 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | trans | -53.1 | 128.6 | 177.4 | 57.4 | 0 | 0 | 0 | 0 | 107.4 | A56 R60 | A56-T58 VanDerWaalsContact C-N 3.34Å; A56-T58 PolarHBondContact O-N 3.04Å; T58-R60 PolarHBondContact O-N 3.08Å | ||
| 59 | P | 58.3 | Low | 60.7 | Low | 77 Ų | 77 | 119.5 Ų | 119.5 | 50% | 0.5 | 66% | 0.661 | S | S | . | * | trans | -54.7 | 118.9 | 176.9 | -21.2 | 30.6 | 0 | 0 | 0 | 107.7 | Y61 | P59-Y61 HydrophobicContact CB-CD1 4.45Å; P59-Y61 HydrophobicContact CB-CE1 3.85Å; P59-Y61 HydrophobicContact CB-CE2 3.98Å; P59-Y61 HydrophobicContact CG-CE2 4.38Å; P59-Y61 WeakPolarHBondContact O-CD2 3.32Å; P59-Y61 VanDerWaalsContact O-CE2 3.32Å; P59-Y61 WeakPolarHBondContact O-CE2 3.1Å; P59-Y61 PolarHBondContact O-N 3.41Å | ||
| 60 | R | 61.8 | Low | 61.9 | Low | 242 Ų | 242 | 122.6 Ų | 122.6 | 91% | 0.913 | 67% | 0.665 | S | S | * | * | trans | -72 | 80.7 | 177.9 | -73.1 | -175.7 | 175.6 | 148.8 | -1.6 | 107.8 | T58 | T58-R60 PolarHBondContact O-N 3.08Š| ||
| 61 | Y | 61.7 | Low | 63.2 | Low | 132 Ų | 132 | 119.2 Ų | 119.2 | 52% | 0.518 | 64% | 0.642 | S | S | . | * | trans | -62 | 137.2 | 168.6 | -48.6 | -74.9 | 0 | 0 | 0 | 108.1 | P59 L63 | P59-Y61 HydrophobicContact CB-CD1 4.45Å; P59-Y61 HydrophobicContact CB-CE1 3.85Å; P59-Y61 HydrophobicContact CB-CE2 3.98Å; P59-Y61 HydrophobicContact CG-CE2 4.38Å; P59-Y61 WeakPolarHBondContact O-CD2 3.32Å; P59-Y61 VanDerWaalsContact O-CE2 3.32Å; P59-Y61 WeakPolarHBondContact O-CE2 3.1Å; P59-Y61 PolarHBondContact O-N 3.41Å; Y61-L63 PolarHBondContact O-N 3.3Å | ||
| 62 | P | 75 | Confident | 63.8 | Low | 80 Ų | 80 | 116.5 Ų | 116.5 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | trans | -55.5 | 140.2 | 177.8 | 23 | -32.1 | 0 | 0 | 0 | 109.6 | L64 Q65 | P62-L64 PolarHBondContact O-N 3.23Å; P62-Q65 HydrophobicContact CG-CB 4.24Å; P62-Q65 WeakPolarHBondContact O-CB 3.2Å; P62-Q65 PolarHBondContact O-N 2.99Å | ||
| 63 | L | 68.7 | Low | 64.8 | Low | 135 Ų | 135 | 109.6 Ų | 109.6 | 71% | 0.707 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -49.5 | -34.5 | -176.7 | -70.6 | 173.3 | 0 | 0 | 0 | 112.8 | Y61 Q65 R66 V67 | Y61-L63 PolarHBondContact O-N 3.3Å; L63-Q65 VanDerWaalsContact C-N 3.26Å; L63-Q65 PolarHBondContact O-N 3.18Å; L63-R66 PolarHBondContact O-N 3.44Å; L63-R66 VanDerWaalsContact O-N 3.08Å; L63-V67 WeakPolarHBondContact O-CG2 3.48Å; L63-V67 PolarHBondContact O-N 3.46Å |
| 64 | L | 65 | Low | 65.5 | Low | 126 Ų | 126 | 110.5 Ų | 110.5 | 66% | 0.66 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -55.5 | -38.4 | 175.5 | -64.7 | -179.8 | 0 | 0 | 0 | 113 | P62 S68 | P62-L64 PolarHBondContact O-N 3.23Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 2.98Å; L64-S68 PolarHBondContact O-OG 2.97Å |
| 65 | Q | 70.5 | Confident | 66.2 | Low | 125 Ų | 125 | 108.4 Ų | 108.4 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.6 | -25.8 | -179.8 | -165.6 | 161.9 | 2.5 | 0 | 0 | 112.5 | P62 L63 | P62-Q65 HydrophobicContact CG-CB 4.24Å; P62-Q65 WeakPolarHBondContact O-CB 3.2Å; P62-Q65 PolarHBondContact O-N 2.99Å; L63-Q65 VanDerWaalsContact C-N 3.26Å; L63-Q65 PolarHBondContact O-N 3.18Å |
| 66 | R | 72 | Confident | 67 | Low | 162 Ų | 162 | 111.2 Ų | 111.2 | 61% | 0.611 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.7 | -40.8 | 173.8 | -167 | -178.2 | -68.3 | -163.7 | -2.1 | 111.7 | L63 S68 | L63-R66 PolarHBondContact O-N 3.44Å; L63-R66 VanDerWaalsContact O-N 3.08Å; R66-S68 VanDerWaalsContact C-N 3.32Å |
| 67 | V | 72.8 | Confident | 67.8 | Low | 62 Ų | 62 | 115.2 Ų | 115.2 | 38% | 0.376 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.8 | -23.5 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | L63 A69 L70 V71 | L63-V67 WeakPolarHBondContact O-CG2 3.48Å; L63-V67 PolarHBondContact O-N 3.46Å; V67-A69 PolarHBondContact O-N 2.91Å; V67-A69 VanDerWaalsContact O-N 3.14Å; V67-L70 PolarHBondContact O-N 2.64Å; V67-V71 PolarHBondContact O-N 3.02Å |
| 68 | S | 71.6 | Confident | 68.3 | Low | 32 Ų | 32 | 112.8 Ų | 112.8 | 22% | 0.224 | 59% | 0.589 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -53.4 | -32.3 | 175.9 | -72.3 | 0 | 0 | 0 | 0 | 114.3 | L64 R66 V71 T75 | L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 2.98Å; L64-S68 PolarHBondContact O-OG 2.97Å; R66-S68 VanDerWaalsContact C-N 3.32Å; S68-V71 CarbonylContact O-C 3.59Å; S68-T75 WeakPolarHBondContact OG-CG2 3.36Å |
| 69 | A | 69.6 | Low | 68.8 | Low | 88 Ų | 88 | 112.7 Ų | 112.7 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -30.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V67 | V67-A69 PolarHBondContact O-N 2.91Å; V67-A69 VanDerWaalsContact O-N 3.14Å |
| 70 | L | 78.6 | Confident | 69.2 | Low | 145 Ų | 145 | 119 Ų | 119 | 76% | 0.759 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -29.3 | 179.5 | -65.8 | 170.4 | 0 | 0 | 0 | 112.1 | V67 | V67-L70 PolarHBondContact O-N 2.64Š|
| 71 | V | 75.8 | Confident | 70 | Confident | 53 Ų | 53 | 113.9 Ų | 113.9 | 32% | 0.321 | 60% | 0.596 | S | S | . | * | trans | -131.9 | 85.9 | -179.6 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | V67 S68 S73 L74 | V67-V71 PolarHBondContact O-N 3.02Å; S68-V71 CarbonylContact O-C 3.59Å; V71-S73 WeakPolarHBondContact CG1-OG 3.41Å; V71-S73 PolarHBondContact O-N 3.14Å; V71-S73 VanDerWaalsContact O-N 3.07Å; V71-L74 HydrophobicContact CB-CD1 4.16Å; V71-L74 HydrophobicContact CG1-CB 4.5Å; V71-L74 HydrophobicContact CG1-CD1 3.63Å; V71-L74 PolarHBondContact O-N 2.75Å | ||
| 72 | P | 69.3 | Low | 71.4 | Confident | 78 Ų | 78 | 109.1 Ų | 109.1 | 51% | 0.506 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -56.8 | -28.3 | -179.3 | -25 | 33.4 | 0 | 0 | 0 | 112.8 | L74 T75 W76 | P72-L74 VanDerWaalsContact C-N 3.25Å; P72-L74 PolarHBondContact O-N 3.21Å; P72-T75 PolarHBondContact O-N 2.85Å; P72-T75 VanDerWaalsContact O-N 3.14Å; P72-T75 PolarHBondContact O-OG1 3.1Å; P72-W76 PolarHBondContact O-N 3.39Å |
| 73 | S | 69.7 | Low | 72.3 | Confident | 85 Ų | 85 | 108.4 Ų | 108.4 | 59% | 0.594 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.5 | -20.9 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | V71 T75 W76 | V71-S73 WeakPolarHBondContact CG1-OG 3.41Å; V71-S73 PolarHBondContact O-N 3.14Å; V71-S73 VanDerWaalsContact O-N 3.07Å; S73-T75 VanDerWaalsContact C-N 3.3Å; S73-W76 PolarHBondContact O-N 2.91Å |
| 74 | L | 66.8 | Low | 73.5 | Confident | 108 Ų | 108 | 108.7 Ų | 108.7 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.1 | -27.9 | 173.6 | -110.9 | 86.8 | 0 | 0 | 0 | 112.3 | V71 P72 | V71-L74 HydrophobicContact CB-CD1 4.16Å; V71-L74 HydrophobicContact CG1-CB 4.5Å; V71-L74 HydrophobicContact CG1-CD1 3.63Å; V71-L74 PolarHBondContact O-N 2.75Å; P72-L74 VanDerWaalsContact C-N 3.25Å; P72-L74 PolarHBondContact O-N 3.21Å |
| 75 | T | 67.4 | Low | 74.9 | Confident | 78 Ų | 78 | 110.4 Ų | 110.4 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -88.3 | -10 | 177.1 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | S68 P72 S73 Q77 | S68-T75 WeakPolarHBondContact OG-CG2 3.36Å; P72-T75 PolarHBondContact O-N 2.85Å; P72-T75 VanDerWaalsContact O-N 3.14Å; P72-T75 PolarHBondContact O-OG1 3.1Å; S73-T75 VanDerWaalsContact C-N 3.3Å; T75-Q77 PolarHBondContact O-N 3.18Å |
| 76 | W | 67.7 | Low | 76 | Confident | 186 Ų | 186 | 105.1 Ų | 105.1 | 71% | 0.705 | 55% | 0.545 | S | S | * | . | trans | -66.3 | 98 | -179.4 | -101.8 | 85.3 | 0 | 0 | 0 | 109.8 | P72 S73 P78 | P72-W76 PolarHBondContact O-N 3.39Å; S73-W76 PolarHBondContact O-N 2.91Å; W76-P78 WeakPolarHBondContact O-CD 3.21Å | ||
| 77 | Q | 69.4 | Low | 77 | Confident | 166 Ų | 166 | 106.3 Ų | 106.3 | 78% | 0.776 | 56% | 0.563 | S | S | * | * | trans | -59.7 | 124.2 | 167.9 | -75.9 | -163.5 | -9.5 | 0 | 0 | 108.1 | T75 C79 | T75-Q77 PolarHBondContact O-N 3.18Å; Q77-C79 PolarHBondContact O-N 3.2Å | ||
| 78 | P | 67.6 | Low | 78.1 | Confident | 103 Ų | 103 | 113.3 Ų | 113.3 | 67% | 0.669 | 59% | 0.588 | S | S | * | * | trans | -61.2 | 112.7 | 176.8 | -18.4 | 28.9 | 0 | 0 | 0 | 109.3 | W76 R80 | W76-P78 WeakPolarHBondContact O-CD 3.21Å; P78-R80 HydrophobicContact CB-CG 4Å; P78-R80 PolarHBondContact O-N 3.33Å | ||
| 79 | C | 66.4 | Low | 79.2 | Confident | 104 Ų | 104 | 119.4 Ų | 119.4 | 70% | 0.703 | 61% | 0.61 | S | S | * | * | trans | -72.5 | 41.4 | 171.2 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | Q77 N81 | Q77-C79 PolarHBondContact O-N 3.2Å; C79-N81 PolarHBondContact O-N 3.05Å; C79-N81 PolarHBondContact O-OD1 2.76Å | ||
| 80 | R | 66.6 | Low | 80.5 | Confident | 209 Ų | 209 | 117.3 Ų | 117.3 | 79% | 0.789 | 60% | 0.598 | S | S | * | * | trans | -80.2 | 107.9 | -179 | -63.5 | -165 | -165.1 | -164.8 | 7.3 | 108.7 | P78 L82 | P78-R80 HydrophobicContact CB-CG 4Å; P78-R80 PolarHBondContact O-N 3.33Å; R80-L82 PolarHBondContact O-N 2.97Å | ||
| 81 | N | 77.8 | Confident | 81.3 | Confident | 134 Ų | 134 | 117.5 Ų | 117.5 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -65.1 | -18 | 177.2 | -57.1 | -18.9 | 0 | 0 | 0 | 113.1 | C79 V95 | C79-N81 PolarHBondContact O-N 3.05Å; C79-N81 PolarHBondContact O-OD1 2.76Å; N81-V95 WeakPolarHBondContact O-CG2 3.49Å |
| 82 | L | 90.4 | Very high | 82.3 | Confident | 32 Ų | 32 | 119 Ų | 119 | 17% | 0.168 | 59% | 0.593 | C | S | . | * | trans | -136.9 | 133 | -172.7 | -169.9 | 136.1 | 0 | 0 | 0 | 112.4 | R80 Y84 R92 K148 M149 | R80-L82 PolarHBondContact O-N 2.97Å; L82-Y84 HydrophobicContact CD2-CD1 4.05Å; L82-Y84 HydrophobicContact CD2-CD2 3.51Å; L82-Y84 HydrophobicContact CD2-CE1 3.85Å; L82-Y84 HydrophobicContact CD2-CE2 3.3Å; L82-Y84 HydrophobicContact CD2-CG 3.86Å; L82-Y84 VanDerWaalsContact CD2-CZ 3.47Å; L82-R92 VanDerWaalsContact CD2-NH2 3.28Å; L82-K148 WeakPolarHBondContact CD1-O 3.41Å; L82-M149 HydrophobicContact CD1-CB 4.4Å; L82-M149 HydrophobicContact CD1-CG 4.14Å | ||
| 83 | T | 93.8 | Very high | 83.5 | Confident | 65 Ų | 65 | 120.2 Ų | 120.2 | 40% | 0.399 | 59% | 0.59 | S | S | . | * | trans | -110.6 | 110.7 | 177.7 | -45.1 | 0 | 0 | 0 | 0 | 110.5 | F85 K93 | T83-F85 WeakPolarHBondContact CG2-O 3.18Å; T83-K93 HydrophobicContact CG2-CG 4.41Å; T83-K93 PolarHBondContact O-N 2.77Å | ||
| 84 | Y | 94.2 | Very high | 84.7 | Confident | 141 Ų | 141 | 118.4 Ų | 118.4 | 55% | 0.553 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -73.3 | -43.6 | 179 | -73 | -90.5 | 0 | 0 | 0 | 112.8 | L82 K91 R92 | L82-Y84 HydrophobicContact CD2-CD1 4.05Å; L82-Y84 HydrophobicContact CD2-CD2 3.51Å; L82-Y84 HydrophobicContact CD2-CE1 3.85Å; L82-Y84 HydrophobicContact CD2-CE2 3.3Å; L82-Y84 HydrophobicContact CD2-CG 3.86Å; L82-Y84 VanDerWaalsContact CD2-CZ 3.47Å; Y84-K91 CarbonylContact O-C 3.58Å; Y84-R92 WeakPolarHBondContact O-CA 3.41Å; Y84-R92 PolarHBondContact O-N 3.45Å |
| 85 | F | 94.5 | Very high | 86.1 | Confident | 163 Ų | 163 | 114.6 Ų | 114.6 | 72% | 0.715 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -128 | 120.1 | -178.9 | -58.3 | -80.1 | 0 | 0 | 0 | 108.9 | T83 G90 | T83-F85 WeakPolarHBondContact CG2-O 3.18Å; F85-G90 WeakPolarHBondContact CD1-O 3.28Å |
| 86 | S | 93.6 | Very high | 87.4 | Confident | 13 Ų | 13 | 114.6 Ų | 114.6 | 9% | 0.091 | 56% | 0.562 | C | S | . | * | trans | -79.1 | 142.6 | 175.8 | 69.3 | 0 | 0 | 0 | 0 | 111.3 | K88 K89 G90 K91 | S86-K88 VanDerWaalsContact C-N 3.34Å; S86-K88 PolarHBondContact O-N 3.32Å; S86-K89 PolarHBondContact OG-N 3.11Å; S86-G90 WeakPolarHBondContact O-CA 3.09Å; S86-G90 PolarHBondContact O-N 3.02Å; S86-G90 PolarHBondContact OG-N 2.97Å; S86-K91 VanDerWaalsContact CB-O 3.28Å; S86-K91 WeakPolarHBondContact CB-O 3.43Å; S86-K91 PolarHBondContact N-O 2.86Å; S86-K91 PolarHBondContact OG-N 2.99Å; S86-K91 VanDerWaalsContact OG-N 3.15Å; S86-K91 PolarHBondContact OG-O 3.09Å | ||
| 87 | L | 93.4 | Very high | 88.7 | Confident | 188 Ų | 188 | 107.6 Ų | 107.6 | 98% | 0.984 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -41.3 | 179.2 | -60.5 | 175.8 | 0 | 0 | 0 | 113.6 | ||
| 88 | K | 95.7 | Very high | 90 | Very high | 209 Ų | 209 | 100 Ų | 100 | 91% | 0.909 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -41.4 | -176.4 | -64.1 | -169.7 | 178 | -170.9 | 0 | 114.5 | S86 | S86-K88 VanDerWaalsContact C-N 3.34Å; S86-K88 PolarHBondContact O-N 3.32Å |
| 89 | K | 95.8 | Very high | 91.3 | Very high | 159 Ų | 159 | 96.9 Ų | 96.9 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -4.7 | -169.8 | -62.8 | -169 | 177.9 | -172 | 0 | 114 | S86 K91 | S86-K89 PolarHBondContact OG-N 3.11Å; K89-K91 HydrophobicContact CB-CG 4.5Å; K89-K91 WeakPolarHBondContact O-CG 3.42Å; K89-K91 PolarHBondContact O-N 3.46Å; K89-K91 VanDerWaalsContact O-N 3.08Å |
| 90 | G | 96.3 | Very high | 92.7 | Very high | 45 Ų | 45 | 98 Ų | 98 | 46% | 0.464 | 49% | 0.487 | S | S | . | . | trans | 61.1 | 13.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F85 S86 | F85-G90 WeakPolarHBondContact CD1-O 3.28Å; S86-G90 WeakPolarHBondContact O-CA 3.09Å; S86-G90 PolarHBondContact O-N 3.02Å; S86-G90 PolarHBondContact OG-N 2.97Å | ||
| 91 | K | 95.9 | Very high | 94.2 | Very high | 149 Ų | 149 | 96.9 Ų | 96.9 | 65% | 0.648 | 48% | 0.482 | S | S | * | . | trans | -104.3 | 157 | -174.8 | -68.2 | 179.7 | -174.5 | -173.2 | 0 | 112.6 | Y84 S86 K89 | Y84-K91 CarbonylContact O-C 3.58Å; S86-K91 VanDerWaalsContact CB-O 3.28Å; S86-K91 WeakPolarHBondContact CB-O 3.43Å; S86-K91 PolarHBondContact N-O 2.86Å; S86-K91 PolarHBondContact OG-N 2.99Å; S86-K91 VanDerWaalsContact OG-N 3.15Å; S86-K91 PolarHBondContact OG-O 3.09Å; K89-K91 HydrophobicContact CB-CG 4.5Å; K89-K91 WeakPolarHBondContact O-CG 3.42Å; K89-K91 PolarHBondContact O-N 3.46Å; K89-K91 VanDerWaalsContact O-N 3.08Å | ||
| 92 | R | 95.4 | Very high | 95.1 | Very high | 85 Ų | 85 | 93.1 Ų | 93.1 | 32% | 0.321 | 46% | 0.459 | S | S | . | . | trans | -60.2 | 140.9 | 172.5 | -167.9 | -175.1 | -166.9 | 81 | -0.7 | 111.5 | L82 Y84 K148 | L82-R92 VanDerWaalsContact CD2-NH2 3.28Å; Y84-R92 WeakPolarHBondContact O-CA 3.41Å; Y84-R92 PolarHBondContact O-N 3.45Å; R92-K148 VanDerWaalsContact CZ-O 3.22Å; R92-K148 PolarHBondContact NE-O 3.42Å; R92-K148 PolarHBondContact NH2-O 3.31Å | ||
| 93 | K | 95.3 | Very high | 95.4 | Very high | 102 Ų | 102 | 94.6 Ų | 94.6 | 44% | 0.443 | 47% | 0.466 | S | S | . | . | trans | -105.8 | 137.9 | 172.2 | -60.2 | -68 | -175.9 | 166.6 | 0 | 110.8 | T83 | T83-K93 HydrophobicContact CG2-CG 4.41Å; T83-K93 PolarHBondContact O-N 2.77Å | ||
| 94 | S | 95.7 | Very high | 95.6 | Very high | 47 Ų | 47 | 93.4 Ų | 93.4 | 33% | 0.329 | 46% | 0.455 | S | S | . | . | trans | -81.2 | 145.1 | 171.1 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | S96 M149 | S94-S96 PolarHBondContact O-N 3.14Å; S94-M149 WeakPolarHBondContact CA-O 3.27Å | ||
| 95 | V | 95.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 86.9 Ų | 86.9 | 17% | 0.17 | 43% | 0.429 | C | S | . | . | trans | -80.7 | 114 | 174.5 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | N81 A97 V98 M149 | N81-V95 WeakPolarHBondContact O-CG2 3.49Å; V95-A97 VanDerWaalsContact C-N 3.28Å; V95-A97 HydrophobicContact CG1-CB 4.2Å; V95-A97 PolarHBondContact O-N 3.3Å; V95-V98 HydrophobicContact CB-CG2 4.18Å; V95-V98 HydrophobicContact CG1-CG2 4.44Å; V95-V98 WeakPolarHBondContact O-CB 3.47Å; V95-V98 PolarHBondContact O-N 3.03Å; V95-V98 VanDerWaalsContact O-N 3.09Å; V95-M149 HydrophobicContact CB-CE 3.95Å; V95-M149 HydrophobicContact CG1-CE 3.95Å; V95-M149 HydrophobicContact CG2-CB 4.17Å; V95-M149 HydrophobicContact CG2-CE 3.76Å; V95-M149 PolarHBondContact N-O 3.3Å; V95-M149 VanDerWaalsContact N-O 3.11Å | ||
| 96 | S | 94.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 83.3 Ų | 83.3 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.2 | -36.1 | -178.2 | 51.4 | 0 | 0 | 0 | 0 | 113 | S94 V98 T99 D100 | S94-S96 PolarHBondContact O-N 3.14Å; S96-V98 PolarHBondContact O-N 3.07Å; S96-T99 PolarHBondContact O-N 3.32Å; S96-T99 PolarHBondContact O-OG1 2.96Å; S96-D100 PolarHBondContact O-N 3.06Å |
| 97 | A | 95 | Very high | 96 | Very high | 39 Ų | 39 | 84.4 Ų | 84.4 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.4 | -23 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V95 R101 | V95-A97 VanDerWaalsContact C-N 3.28Å; V95-A97 HydrophobicContact CG1-CB 4.2Å; V95-A97 PolarHBondContact O-N 3.3Å; A97-R101 WeakPolarHBondContact O-CB 3.4Å; A97-R101 WeakPolarHBondContact O-CD 3.44Å; A97-R101 VanDerWaalsContact O-CG 3.26Å; A97-R101 WeakPolarHBondContact O-CG 3.47Å |
| 98 | V | 96.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -74.1 | -47.6 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | V95 S96 D100 R101 F102 W110 L146 M149 T150 | V95-V98 HydrophobicContact CB-CG2 4.18Å; V95-V98 HydrophobicContact CG1-CG2 4.44Å; V95-V98 WeakPolarHBondContact O-CB 3.47Å; V95-V98 PolarHBondContact O-N 3.03Å; V95-V98 VanDerWaalsContact O-N 3.09Å; S96-V98 PolarHBondContact O-N 3.07Å; V98-D100 PolarHBondContact O-N 2.89Å; V98-R101 PolarHBondContact O-N 3.2Å; V98-F102 HydrophobicContact CG1-CB 4.49Å; V98-F102 HydrophobicContact CG1-CD2 4.31Å; V98-F102 WeakPolarHBondContact O-CB 3.33Å; V98-F102 PolarHBondContact O-N 3.1Å; V98-W110 HydrophobicContact CG1-CH2 3.96Å; V98-W110 HydrophobicContact CG1-CZ3 3.9Å; V98-L146 HydrophobicContact CB-CD2 4.45Å; V98-L146 HydrophobicContact CG1-CB 4.49Å; V98-L146 HydrophobicContact CG1-CD2 3.74Å; V98-L146 HydrophobicContact CG2-CD2 3.9Å; V98-M149 HydrophobicContact CG2-CB 4.06Å; V98-M149 HydrophobicContact CG2-CE 3.67Å; V98-M149 HydrophobicContact CG2-SD 4.05Å; V98-T150 HydrophobicContact CB-CG2 4.26Å; V98-T150 HydrophobicContact CG1-CG2 3.72Å |
| 99 | T | 94.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 69 Ų | 69 | 24% | 0.239 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -30.5 | -177.9 | 53.3 | 0 | 0 | 0 | 0 | 112 | S96 W154 | S96-T99 PolarHBondContact O-N 3.32Å; S96-T99 PolarHBondContact O-OG1 2.96Å; T99-W154 HydrophobicContact CG2-CD2 3.71Å; T99-W154 HydrophobicContact CG2-CE3 4.11Å; T99-W154 HydrophobicContact CG2-CG 4.27Å; T99-W154 HydrophobicContact CG2-CH2 3.94Å; T99-W154 HydrophobicContact CG2-CZ2 3.53Å; T99-W154 HydrophobicContact CG2-CZ3 4.22Å |
| 100 | D | 96.7 | Very high | 96.3 | Very high | 128 Ų | 128 | 61.6 Ų | 61.6 | 68% | 0.684 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -76.5 | -25.3 | 179.9 | -56.6 | -20.5 | 0 | 0 | 0 | 112.9 | S96 V98 | S96-D100 PolarHBondContact O-N 3.06Å; V98-D100 PolarHBondContact O-N 2.89Å |
| 101 | R | 97.3 | Very high | 96.4 | Very high | 184 Ų | 184 | 60.1 Ų | 60.1 | 69% | 0.694 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -111.4 | -25.4 | -169.6 | -63.8 | 178.8 | -173.3 | -174.7 | 3.2 | 113.8 | A97 V98 | A97-R101 WeakPolarHBondContact O-CB 3.4Å; A97-R101 WeakPolarHBondContact O-CD 3.44Å; A97-R101 VanDerWaalsContact O-CG 3.26Å; A97-R101 WeakPolarHBondContact O-CG 3.47Å; V98-R101 PolarHBondContact O-N 3.2Å |
| 102 | F | 98 | Very high | 96.5 | Very high | 55 Ų | 55 | 57 Ų | 57 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.3 | -174.9 | -57.6 | -95.9 | 0 | 0 | 0 | 110 | V98 W110 I111 R112 L146 | V98-F102 HydrophobicContact CG1-CB 4.49Å; V98-F102 HydrophobicContact CG1-CD2 4.31Å; V98-F102 WeakPolarHBondContact O-CB 3.33Å; V98-F102 PolarHBondContact O-N 3.1Å; F102-W110 HydrophobicContact CB-CE3 3.61Å; F102-W110 HydrophobicContact CB-CZ3 3.94Å; F102-I111 WeakPolarHBondContact CA-O 3.04Å; F102-R112 HydrophobicContact CD1-CB 3.72Å; F102-R112 HydrophobicContact CE1-CB 3.87Å; F102-R112 HydrophobicContact CE1-CG 4.44Å; F102-L146 HydrophobicContact CB-CD1 4.49Å; F102-L146 HydrophobicContact CD1-CD1 3.82Å; F102-L146 HydrophobicContact CD2-CD2 4.18Å; F102-L146 HydrophobicContact CE1-CD1 4.13Å; F102-L146 HydrophobicContact CE2-CD2 4.2Å; F102-L146 HydrophobicContact CG-CD1 4.08Å; F102-L146 HydrophobicContact CG-CD2 4.45Å; F102-L146 HydrophobicContact CZ-CD2 4.49Å |
| 103 | M | 97.1 | Very high | 96.6 | Very high | 63 Ų | 63 | 58.8 Ų | 58.8 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.5 | 175.1 | -171.6 | -169.9 | 98.1 | 0 | 0 | 109.4 | L105 W110 I111 Y165 | M103-L105 HydrophobicContact CE-CD2 3.51Å; M103-L105 HydrophobicContact CE-CG 4.47Å; M103-W110 WeakPolarHBondContact O-CA 3.09Å; M103-I111 HydrophobicContact CB-CD1 4.07Å; M103-I111 HydrophobicContact CB-CG1 3.66Å; M103-I111 HydrophobicContact CE-CD1 3.16Å; M103-I111 HydrophobicContact CE-CG1 3.96Å; M103-I111 HydrophobicContact CG-CD1 4.45Å; M103-I111 HydrophobicContact CG-CG1 4.45Å; M103-I111 PolarHBondContact N-O 2.94Å; M103-I111 PolarHBondContact O-N 3.46Å; M103-I111 HydrophobicContact SD-CD1 3.84Å; M103-I111 HydrophobicContact SD-CG1 4.45Å; M103-Y165 HydrophobicContact CE-CD1 3.7Å; M103-Y165 HydrophobicContact CE-CD2 3.55Å; M103-Y165 HydrophobicContact CE-CE1 4.16Å; M103-Y165 HydrophobicContact CE-CE2 4.02Å; M103-Y165 HydrophobicContact CE-CG 3.36Å; M103-Y165 HydrophobicContact SD-CD2 3.7Å; M103-Y165 HydrophobicContact SD-CE2 3.78Å; M103-Y165 HydrophobicContact SD-CG 4.17Å |
| 104 | R | 97.8 | Very high | 96.7 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.5 | -178.5 | 177.3 | 51.5 | 174.2 | -96.5 | 13.1 | 110.5 | W110 D147 | R104-W110 HydrophobicContact CB-CD2 4.26Å; R104-W110 HydrophobicContact CB-CE3 3.97Å; R104-W110 HydrophobicContact CB-CH2 3.8Å; R104-W110 HydrophobicContact CB-CZ2 4.08Å; R104-W110 HydrophobicContact CB-CZ3 3.76Å; R104-W110 HydrophobicContact CG-CH2 4.38Å; R104-W110 HydrophobicContact CG-CZ2 4.2Å; R104-D147 IonicContact CZ-OD1 3.33Å; R104-D147 IonicContact CZ-OD2 3.45Å; R104-D147 IonicContact NH1-OD1 2.62Å; R104-D147 PolarHBondContact NH1-OD1 3.03Å; R104-D147 IonicContact NH1-OD2 3.17Å; R104-D147 PolarHBondContact NH1-OD2 3.02Å; R104-D147 VanDerWaalsContact NH1-OD2 3.17Å; R104-D147 IonicContact NH2-OD1 3.46Å; R104-D147 PolarHBondContact NH2-OD1 3.38Å; R104-D147 IonicContact NH2-OD2 2.84Å; R104-D147 PolarHBondContact NH2-OD2 3.44Å |
| 105 | L | 97.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | trans | -93 | 151.2 | 167.4 | -58.3 | 176.2 | 0 | 0 | 0 | 110.4 | M103 C107 G108 L109 I111 F137 | M103-L105 HydrophobicContact CE-CD2 3.51Å; M103-L105 HydrophobicContact CE-CG 4.47Å; L105-C107 VanDerWaalsContact C-N 3.3Å; L105-C107 PolarHBondContact O-N 3.23Å; L105-G108 PolarHBondContact O-N 2.74Å; L105-L109 HydrophobicContact CB-CB 4.5Å; L105-L109 HydrophobicContact CD1-CB 4.27Å; L105-L109 PolarHBondContact N-O 3.31Å; L105-I111 HydrophobicContact CD1-CG2 3.98Å; L105-F137 HydrophobicContact CD1-CE1 3.98Å | ||
| 106 | H | 97.2 | Very high | 96.9 | Very high | 87 Ų | 87 | 58.7 Ų | 58.7 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -35.2 | -175.7 | -176.8 | -103.8 | 0 | 0 | 0 | 111.9 | G108 H169 D170 | H106-G108 PolarHBondContact O-N 2.81Å; H106-H169 CarbonylContact C-O 3.53Å; H106-H169 HydrophobicContact CB-CB 3.94Å; H106-H169 PolarHBondContact N-ND1 3.11Å; H106-H169 VanDerWaalsContact N-ND1 3.18Å; H106-D170 IonicContact ND1-OD1 3.96Å |
| 107 | C | 95 | Very high | 97.1 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 25% | 0.25 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 4.6 | 173.4 | 60.1 | 0 | 0 | 0 | 0 | 115.7 | L105 Y168 H169 R171 | L105-C107 VanDerWaalsContact C-N 3.3Å; L105-C107 PolarHBondContact O-N 3.23Å; C107-Y168 PolarHBondContact SG-O 3.49Å; C107-Y168 VanDerWaalsContact SG-O 3.4Å; C107-H169 WeakPolarHBondContact CA-O 3.46Å; C107-H169 WeakPolarHBondContact CB-O 3.47Å; C107-H169 PolarHBondContact N-O 3.04Å; C107-R171 HydrophobicContact CB-CG 3.66Å |
| 108 | G | 95.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 89.2 | -0.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L105 H106 | L105-G108 PolarHBondContact O-N 2.74Å; H106-G108 PolarHBondContact O-N 2.81Å |
| 109 | L | 97.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 69.1 Ų | 69.1 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | trans | -84.8 | 149.7 | 177 | -61.6 | 178.8 | 0 | 0 | 0 | 111.5 | L105 F137 | L105-L109 HydrophobicContact CB-CB 4.5Å; L105-L109 HydrophobicContact CD1-CB 4.27Å; L105-L109 PolarHBondContact N-O 3.31Å; L109-F137 HydrophobicContact CB-CD1 4.12Å; L109-F137 HydrophobicContact CB-CE1 4.26Å; L109-F137 HydrophobicContact CD1-CD1 4.09Å; L109-F137 HydrophobicContact CD1-CE1 3.87Å; L109-F137 HydrophobicContact CD1-CZ 4.45Å | ||
| 110 | W | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.1 | 171.3 | -71.2 | 83.7 | 0 | 0 | 0 | 109.6 | V98 F102 M103 R104 F137 C138 L146 D147 T150 | V98-W110 HydrophobicContact CG1-CH2 3.96Å; V98-W110 HydrophobicContact CG1-CZ3 3.9Å; F102-W110 HydrophobicContact CB-CE3 3.61Å; F102-W110 HydrophobicContact CB-CZ3 3.94Å; M103-W110 WeakPolarHBondContact O-CA 3.09Å; R104-W110 HydrophobicContact CB-CD2 4.26Å; R104-W110 HydrophobicContact CB-CE3 3.97Å; R104-W110 HydrophobicContact CB-CH2 3.8Å; R104-W110 HydrophobicContact CB-CZ2 4.08Å; R104-W110 HydrophobicContact CB-CZ3 3.76Å; R104-W110 HydrophobicContact CG-CH2 4.38Å; R104-W110 HydrophobicContact CG-CZ2 4.2Å; W110-F137 CarbonylContact O-C 3.48Å; W110-F137 WeakPolarHBondContact O-CA 3.11Å; W110-C138 HydrophobicContact CB-CB 3.99Å; W110-C138 PolarHBondContact O-N 3.18Å; W110-L146 HydrophobicContact CB-CD1 3.9Å; W110-L146 HydrophobicContact CD2-CB 3.95Å; W110-L146 HydrophobicContact CD2-CD1 3.75Å; W110-L146 HydrophobicContact CD2-CG 4.5Å; W110-L146 HydrophobicContact CE3-CD1 4.12Å; W110-L146 HydrophobicContact CG-CB 4.32Å; W110-L146 HydrophobicContact CG-CD1 3.68Å; W110-L146 HydrophobicContact CH2-CB 4.41Å; W110-L146 HydrophobicContact CZ2-CB 3.82Å; W110-D147 PolarHBondContact NE1-OD1 3.4Å; W110-T150 HydrophobicContact CH2-CG2 3.77Å; W110-T150 HydrophobicContact CZ2-CG2 4.29Å |
| 111 | I | 98 | Very high | 97.5 | Very high | 13 Ų | 13 | 70.6 Ų | 70.6 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.8 | 175.4 | 65 | 174.8 | 0 | 0 | 0 | 110.9 | F102 M103 L105 I135 V136 F137 Y165 | F102-I111 WeakPolarHBondContact CA-O 3.04Å; M103-I111 HydrophobicContact CB-CD1 4.07Å; M103-I111 HydrophobicContact CB-CG1 3.66Å; M103-I111 HydrophobicContact CE-CD1 3.16Å; M103-I111 HydrophobicContact CE-CG1 3.96Å; M103-I111 HydrophobicContact CG-CD1 4.45Å; M103-I111 HydrophobicContact CG-CG1 4.45Å; M103-I111 PolarHBondContact N-O 2.94Å; M103-I111 PolarHBondContact O-N 3.46Å; M103-I111 HydrophobicContact SD-CD1 3.84Å; M103-I111 HydrophobicContact SD-CG1 4.45Å; L105-I111 HydrophobicContact CD1-CG2 3.98Å; I111-I135 HydrophobicContact CB-CG2 3.77Å; I111-I135 HydrophobicContact CD1-CG2 4.02Å; I111-I135 HydrophobicContact CG1-CG2 4.24Å; I111-I135 HydrophobicContact CG2-CG2 4.45Å; I111-V136 WeakPolarHBondContact CA-O 3.47Å; I111-F137 HydrophobicContact CG2-CD1 3.55Å; I111-F137 HydrophobicContact CG2-CE1 3.51Å; I111-F137 HydrophobicContact CG2-CZ 4.47Å; I111-Y165 HydrophobicContact CD1-CD1 4.16Å; I111-Y165 HydrophobicContact CD1-CE1 3.84Å |
| 112 | R | 98.2 | Very high | 97.5 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 160.1 | 179.2 | 67.3 | -179.4 | -178.8 | 89.5 | -1.5 | 111.9 | F102 V136 | F102-R112 HydrophobicContact CD1-CB 3.72Å; F102-R112 HydrophobicContact CE1-CB 3.87Å; F102-R112 HydrophobicContact CE1-CG 4.44Å; R112-V136 PolarHBondContact N-O 2.67Å; R112-V136 PolarHBondContact O-N 2.96Å |
| 113 | R | 98.1 | Very high | 97.5 | Very high | 124 Ų | 124 | 75.3 Ų | 75.3 | 47% | 0.468 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 148.8 | 166.5 | -59.9 | -172.4 | 74.5 | 153.6 | 11.8 | 110.7 | Y117 | R113-Y117 HydrophobicContact CB-CE1 4.47Å; R113-Y117 PolarHBondContact NH1-OH 3.18Å; R113-Y117 VanDerWaalsContact NH1-OH 3.12Å |
| 114 | K | 97.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 73.4 Ų | 73.4 | 24% | 0.235 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 138.4 | 172.6 | -64.5 | -173.6 | -168.5 | 156 | 0 | 110.4 | Y117 R131 L132 E134 V136 | K114-Y117 WeakPolarHBondContact O-CD1 3.19Å; K114-R131 VanDerWaalsContact CD-O 3.27Å; K114-R131 WeakPolarHBondContact CD-O 3.38Å; K114-R131 WeakPolarHBondContact CE-O 3.26Å; K114-R131 PolarHBondContact NZ-O 2.89Å; K114-L132 HydrophobicContact CB-CD2 3.89Å; K114-L132 HydrophobicContact CD-CD2 4.35Å; K114-E134 IonicContact NZ-OE2 3.15Å; K114-E134 PolarHBondContact NZ-OE2 3.23Å; K114-E134 VanDerWaalsContact NZ-OE2 3.15Å; K114-V136 HydrophobicContact CD-CG2 4.22Å; K114-V136 HydrophobicContact CG-CG2 3.97Å |
| 115 | A | 97.8 | Very high | 97.6 | Very high | 88 Ų | 88 | 77.5 Ų | 77.5 | 73% | 0.727 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 145.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y117 | A115-Y117 VanDerWaalsContact C-N 3.27Å; A115-Y117 PolarHBondContact O-N 2.84Å |
| 116 | G | 97.6 | Very high | 97.7 | Very high | 32 Ų | 32 | 81.6 Ų | 81.6 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 12.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K118 K119 K124 | G116-K118 PolarHBondContact O-N 2.97Å; G116-K118 VanDerWaalsContact O-N 3.12Å; G116-K119 PolarHBondContact O-N 2.91Å; G116-K124 PolarHBondContact O-NZ 3.39Å |
| 117 | Y | 97.8 | Very high | 97.7 | Very high | 47 Ų | 47 | 80.2 Ų | 80.2 | 18% | 0.184 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.3 | 177.6 | 80.6 | -80.9 | 0 | 0 | 0 | 114.6 | R113 K114 A115 L121 L132 | R113-Y117 HydrophobicContact CB-CE1 4.47Å; R113-Y117 PolarHBondContact NH1-OH 3.18Å; R113-Y117 VanDerWaalsContact NH1-OH 3.12Å; K114-Y117 WeakPolarHBondContact O-CD1 3.19Å; A115-Y117 VanDerWaalsContact C-N 3.27Å; A115-Y117 PolarHBondContact O-N 2.84Å; Y117-L121 WeakPolarHBondContact O-CD2 3.48Å; Y117-L132 WeakPolarHBondContact CB-O 3.45Å |
| 118 | K | 97.9 | Very high | 97.9 | Very high | 144 Ų | 144 | 84.6 Ų | 84.6 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -4.5 | 174.4 | -74.8 | 174 | 170 | 176.6 | 0 | 114.5 | G116 | G116-K118 PolarHBondContact O-N 2.97Å; G116-K118 VanDerWaalsContact O-N 3.12Å |
| 119 | K | 98.1 | Very high | 98 | Very high | 152 Ų | 152 | 87.5 Ų | 87.5 | 66% | 0.661 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -106 | 139.6 | -169.4 | -61.9 | -63 | -174.2 | 178.4 | 0 | 111.5 | G116 L121 K124 | G116-K119 PolarHBondContact O-N 2.91Å; K119-L121 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 2.84Å; K119-K124 VanDerWaalsContact O-CE 3.3Å; K119-K124 WeakPolarHBondContact O-CE 3.47Å; K119-K124 PolarHBondContact O-NZ 3.46Å |
| 120 | K | 97.7 | Very high | 98 | Very high | 135 Ų | 135 | 92.1 Ų | 92.1 | 59% | 0.587 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 47.1 | 51.7 | 175.2 | -53.9 | -174 | -177.6 | -176.7 | 0 | 112.2 | K123 K124 | K120-K123 HydrophobicContact CB-CD 4.37Å; K120-K123 HydrophobicContact CB-CG 4.22Å; K120-K124 WeakPolarHBondContact O-CD 3.45Å; K120-K124 WeakPolarHBondContact O-CG 3.17Å |
| 121 | L | 98.1 | Very high | 98 | Very high | 62 Ų | 62 | 98.8 Ų | 98.8 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | trans | -73.4 | -31.1 | -174.8 | -69.8 | -177.4 | 0 | 0 | 0 | 113.3 | Y117 K119 K123 K124 R129 | Y117-L121 WeakPolarHBondContact O-CD2 3.48Å; K119-L121 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 2.84Å; L121-K123 VanDerWaalsContact C-N 3.28Å; L121-K123 PolarHBondContact O-N 3.17Å; L121-K124 HydrophobicContact CD2-CD 4.14Å; L121-K124 PolarHBondContact O-N 3.35Å; L121-R129 HydrophobicContact CD2-CG 4.18Å | ||
| 122 | W | 97.5 | Very high | 98.1 | Very high | 223 Ų | 223 | 99.3 Ų | 99.3 | 85% | 0.845 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -38.9 | -179.1 | 59.2 | -97.9 | 0 | 0 | 0 | 112.8 | ||
| 123 | K | 98.1 | Very high | 98 | Very high | 116 Ų | 116 | 102.1 Ų | 102.1 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.9 | 177.6 | 68.1 | 179.4 | -171.7 | 173.5 | 0 | 115.2 | K120 L121 | K120-K123 HydrophobicContact CB-CD 4.37Å; K120-K123 HydrophobicContact CB-CG 4.22Å; L121-K123 VanDerWaalsContact C-N 3.28Å; L121-K123 PolarHBondContact O-N 3.17Å |
| 124 | K | 98.4 | Very high | 98 | Very high | 22 Ų | 22 | 100.2 Ų | 100.2 | 10% | 0.096 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -102 | 128.2 | -176.2 | -72.8 | 173.8 | 178.9 | 176 | 0 | 110.1 | G116 K119 K120 L121 R129 L132 | G116-K124 PolarHBondContact O-NZ 3.39Å; K119-K124 VanDerWaalsContact O-CE 3.3Å; K119-K124 WeakPolarHBondContact O-CE 3.47Å; K119-K124 PolarHBondContact O-NZ 3.46Å; K120-K124 WeakPolarHBondContact O-CD 3.45Å; K120-K124 WeakPolarHBondContact O-CG 3.17Å; L121-K124 HydrophobicContact CD2-CD 4.14Å; L121-K124 PolarHBondContact O-N 3.35Å; K124-R129 HydrophobicContact CB-CG 3.75Å; K124-R129 PolarHBondContact O-NE 3.1Å; K124-L132 HydrophobicContact CD-CD1 3.87Å |
| 125 | L | 98.3 | Very high | 98 | Very high | 127 Ų | 127 | 101.4 Ų | 101.4 | 67% | 0.665 | 48% | 0.479 | S | S | * | . | trans | -55.6 | 147.3 | 174.2 | -77.7 | 79 | 0 | 0 | 0 | 111.7 | A127 R128 R129 | L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 2.8Å; L125-R128 WeakPolarHBondContact O-CB 3.43Å; L125-R128 PolarHBondContact O-N 2.62Å; L125-R129 PolarHBondContact O-N 3.41Å | ||
| 126 | P | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 99.5 Ų | 99.5 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -50.2 | -46.3 | 178.4 | -25.5 | 31.8 | 0 | 0 | 0 | 114 | R128 R129 K130 | P126-R128 VanDerWaalsContact C-N 3.33Å; P126-R128 PolarHBondContact O-N 2.74Å; P126-R129 WeakPolarHBondContact O-CB 3.39Å; P126-R129 PolarHBondContact O-N 2.97Å; P126-R129 VanDerWaalsContact O-N 3.09Å; P126-K130 PolarHBondContact O-N 3.05Å |
| 127 | A | 98.2 | Very high | 98.1 | Very high | 58 Ų | 58 | 103.2 Ų | 103.2 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L125 K130 R131 | L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 2.8Å; A127-K130 PolarHBondContact O-N 3.4Å; A127-R131 WeakPolarHBondContact O-CG 3.38Å; A127-R131 PolarHBondContact O-N 3.12Å |
| 128 | R | 98.2 | Very high | 98.1 | Very high | 130 Ų | 130 | 101.5 Ų | 101.5 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 175.3 | -173.2 | 178.4 | -177.3 | -166.8 | 5.9 | 111.5 | L125 P126 L132 | L125-R128 WeakPolarHBondContact O-CB 3.43Å; L125-R128 PolarHBondContact O-N 2.62Å; P126-R128 VanDerWaalsContact C-N 3.33Å; P126-R128 PolarHBondContact O-N 2.74Å; R128-L132 HydrophobicContact CG-CD1 4.28Å; R128-L132 WeakPolarHBondContact O-CB 3.5Å; R128-L132 VanDerWaalsContact O-CG 3.3Å; R128-L132 WeakPolarHBondContact O-CG 3.43Å; R128-L132 PolarHBondContact O-N 3.01Å |
| 129 | R | 98.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 99.6 Ų | 99.6 | 33% | 0.325 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.8 | -67.2 | -173.1 | -74 | 168.6 | 0.7 | 111.1 | L121 K124 L125 P126 L132 R133 | L121-R129 HydrophobicContact CD2-CG 4.18Å; K124-R129 HydrophobicContact CB-CG 3.75Å; K124-R129 PolarHBondContact O-NE 3.1Å; L125-R129 PolarHBondContact O-N 3.41Å; P126-R129 WeakPolarHBondContact O-CB 3.39Å; P126-R129 PolarHBondContact O-N 2.97Å; P126-R129 VanDerWaalsContact O-N 3.09Å; R129-L132 PolarHBondContact O-N 2.89Å; R129-R133 WeakPolarHBondContact O-CG 3.4Å; R129-R133 PolarHBondContact O-N 3.34Å |
| 130 | K | 98.2 | Very high | 98.1 | Very high | 144 Ų | 144 | 101.8 Ų | 101.8 | 63% | 0.626 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -57.5 | -55.3 | 174.5 | -175.1 | 178 | 178.6 | -179.9 | 0 | 111 | P126 A127 L132 R133 | P126-K130 PolarHBondContact O-N 3.05Å; A127-K130 PolarHBondContact O-N 3.4Å; K130-L132 PolarHBondContact O-N 3.31Å; K130-L132 VanDerWaalsContact O-N 3.16Å; K130-R133 PolarHBondContact O-N 3.02Å |
| 131 | R | 98.4 | Very high | 98.1 | Very high | 144 Ų | 144 | 100.6 Ų | 100.6 | 54% | 0.543 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -55.6 | -36.3 | 178.5 | -71.3 | -167.4 | -61 | -119.2 | 5.8 | 113.4 | K114 A127 E134 | K114-R131 VanDerWaalsContact CD-O 3.27Å; K114-R131 WeakPolarHBondContact CD-O 3.38Å; K114-R131 WeakPolarHBondContact CE-O 3.26Å; K114-R131 PolarHBondContact NZ-O 2.89Å; A127-R131 WeakPolarHBondContact O-CG 3.38Å; A127-R131 PolarHBondContact O-N 3.12Å; R131-E134 WeakPolarHBondContact CA-OE2 3.41Å |
| 132 | L | 98.4 | Very high | 98 | Very high | 24 Ų | 24 | 101.2 Ų | 101.2 | 13% | 0.126 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -72.1 | -25.8 | 179.8 | -77.1 | 175.2 | 0 | 0 | 0 | 113.9 | K114 Y117 K124 R128 R129 K130 E134 | K114-L132 HydrophobicContact CB-CD2 3.89Å; K114-L132 HydrophobicContact CD-CD2 4.35Å; Y117-L132 WeakPolarHBondContact CB-O 3.45Å; K124-L132 HydrophobicContact CD-CD1 3.87Å; R128-L132 HydrophobicContact CG-CD1 4.28Å; R128-L132 WeakPolarHBondContact O-CB 3.5Å; R128-L132 VanDerWaalsContact O-CG 3.3Å; R128-L132 WeakPolarHBondContact O-CG 3.43Å; R128-L132 PolarHBondContact O-N 3.01Å; R129-L132 PolarHBondContact O-N 2.89Å; K130-L132 PolarHBondContact O-N 3.31Å; K130-L132 VanDerWaalsContact O-N 3.16Å; L132-E134 VanDerWaalsContact C-N 3.35Å |
| 133 | R | 97.9 | Very high | 98.1 | Very high | 142 Ų | 142 | 91.2 Ų | 91.2 | 54% | 0.536 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -78.6 | -22.7 | -179.9 | -68 | -179.4 | -147.5 | 141.3 | -1.3 | 112.8 | R129 K130 | R129-R133 WeakPolarHBondContact O-CG 3.4Å; R129-R133 PolarHBondContact O-N 3.34Å; K130-R133 PolarHBondContact O-N 3.02Å |
| 134 | E | 97.9 | Very high | 98 | Very high | 84 Ų | 84 | 92.6 Ų | 92.6 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -58.4 | 142.3 | 177.1 | -66.3 | 158.6 | -171.5 | 0 | 0 | 112 | K114 R131 L132 | K114-E134 IonicContact NZ-OE2 3.15Å; K114-E134 PolarHBondContact NZ-OE2 3.23Å; K114-E134 VanDerWaalsContact NZ-OE2 3.15Å; R131-E134 WeakPolarHBondContact CA-OE2 3.41Å; L132-E134 VanDerWaalsContact C-N 3.35Å |
| 135 | I | 97.6 | Very high | 98 | Very high | 80 Ų | 80 | 96.3 Ų | 96.3 | 41% | 0.41 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.5 | 169.9 | -60.2 | 174.6 | 0 | 0 | 0 | 107.7 | I111 Y165 | I111-I135 HydrophobicContact CB-CG2 3.77Å; I111-I135 HydrophobicContact CD1-CG2 4.02Å; I111-I135 HydrophobicContact CG1-CG2 4.24Å; I111-I135 HydrophobicContact CG2-CG2 4.45Å; I135-Y165 HydrophobicContact CD1-CE1 4.35Å; I135-Y165 WeakPolarHBondContact CD1-OH 3.44Å |
| 136 | V | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 90.8 Ų | 90.8 | 29% | 0.285 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 149.6 | -176.3 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | I111 R112 K114 | I111-V136 WeakPolarHBondContact CA-O 3.47Å; R112-V136 PolarHBondContact N-O 2.67Å; R112-V136 PolarHBondContact O-N 2.96Å; K114-V136 HydrophobicContact CD-CG2 4.22Å; K114-V136 HydrophobicContact CG-CG2 3.97Å |
| 137 | F | 98.3 | Very high | 97.9 | Very high | 111 Ų | 111 | 88.2 Ų | 88.2 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 157.2 | 170.8 | -65.3 | -69.1 | 0 | 0 | 0 | 113.1 | L105 L109 W110 I111 | L105-F137 HydrophobicContact CD1-CE1 3.98Å; L109-F137 HydrophobicContact CB-CD1 4.12Å; L109-F137 HydrophobicContact CB-CE1 4.26Å; L109-F137 HydrophobicContact CD1-CD1 4.09Å; L109-F137 HydrophobicContact CD1-CE1 3.87Å; L109-F137 HydrophobicContact CD1-CZ 4.45Å; W110-F137 CarbonylContact O-C 3.48Å; W110-F137 WeakPolarHBondContact O-CA 3.11Å; I111-F137 HydrophobicContact CG2-CD1 3.55Å; I111-F137 HydrophobicContact CG2-CE1 3.51Å; I111-F137 HydrophobicContact CG2-CZ 4.47Å |
| 138 | C | 98.1 | Very high | 97.8 | Very high | 10 Ų | 10 | 91.2 Ų | 91.2 | 7% | 0.068 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 155 | 168.5 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | W110 Q142 | W110-C138 HydrophobicContact CB-CB 3.99Å; W110-C138 PolarHBondContact O-N 3.18Å; C138-Q142 HydrophobicContact CB-CB 4.05Å |
| 139 | N | 97.9 | Very high | 97.7 | Very high | 105 Ų | 105 | 86.7 Ų | 86.7 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 159.4 | 174.1 | -64.9 | -3.4 | 0 | 0 | 0 | 110.7 | T141 Q142 C143 | N139-T141 VanDerWaalsContact C-N 3.3Å; N139-T141 PolarHBondContact O-N 3.18Å; N139-Q142 HydrophobicContact CB-CG 4.31Å; N139-Q142 VanDerWaalsContact N-OE1 3.12Å; N139-Q142 WeakPolarHBondContact O-CB 3.44Å; N139-Q142 PolarHBondContact O-N 3.42Å; N139-C143 PolarHBondContact O-N 3.23Å; N139-C143 PolarHBondContact O-SG 3.44Å; N139-C143 VanDerWaalsContact O-SG 3.36Å |
| 140 | K | 97.6 | Very high | 97.6 | Very high | 197 Ų | 197 | 82.8 Ų | 82.8 | 86% | 0.857 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -52.9 | -43.4 | 179.7 | -174 | 175.4 | -177.6 | 176.5 | 0 | 113.4 | C143 K144 | K140-C143 PolarHBondContact O-N 2.81Å; K140-K144 PolarHBondContact O-N 3.32Å |
| 141 | T | 98.1 | Very high | 97.5 | Very high | 110 Ų | 110 | 77.2 Ų | 77.2 | 68% | 0.675 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 178 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | N139 K144 L145 | N139-T141 VanDerWaalsContact C-N 3.3Å; N139-T141 PolarHBondContact O-N 3.18Å; T141-K144 PolarHBondContact O-N 3.03Å; T141-L145 PolarHBondContact O-N 3.4Å |
| 142 | Q | 97.4 | Very high | 97.4 | Very high | 76 Ų | 76 | 75.1 Ų | 75.1 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 176.3 | -65.9 | 175.4 | -21.6 | 0 | 0 | 110.8 | C138 N139 K144 L145 L146 | C138-Q142 HydrophobicContact CB-CB 4.05Å; N139-Q142 HydrophobicContact CB-CG 4.31Å; N139-Q142 VanDerWaalsContact N-OE1 3.12Å; N139-Q142 WeakPolarHBondContact O-CB 3.44Å; N139-Q142 PolarHBondContact O-N 3.42Å; Q142-K144 VanDerWaalsContact C-N 3.32Å; Q142-K144 PolarHBondContact O-N 3.26Å; Q142-L145 WeakPolarHBondContact O-CB 3.28Å; Q142-L145 PolarHBondContact O-N 2.91Å; Q142-L145 VanDerWaalsContact O-N 3.11Å; Q142-L146 VanDerWaalsContact O-CG 3.28Å; Q142-L146 WeakPolarHBondContact O-CG 3.4Å; Q142-L146 PolarHBondContact O-N 2.9Å |
| 143 | C | 97.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 80 Ų | 80 | 9% | 0.088 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | N139 K140 L145 L146 D147 | N139-C143 PolarHBondContact O-N 3.23Å; N139-C143 PolarHBondContact O-SG 3.44Å; N139-C143 VanDerWaalsContact O-SG 3.36Å; K140-C143 PolarHBondContact O-N 2.81Å; C143-L145 VanDerWaalsContact C-N 3.29Å; C143-L145 PolarHBondContact O-N 2.95Å; C143-L146 PolarHBondContact O-N 3.36Å; C143-D147 WeakPolarHBondContact O-CB 3.44Å; C143-D147 PolarHBondContact O-N 3.32Å |
| 144 | K | 97.7 | Very high | 97.2 | Very high | 144 Ų | 144 | 78.3 Ų | 78.3 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.6 | -36.8 | 177.6 | -169.1 | 173.6 | -175.1 | 175.7 | 0 | 112.6 | K140 T141 Q142 K148 | K140-K144 PolarHBondContact O-N 3.32Å; T141-K144 PolarHBondContact O-N 3.03Å; Q142-K144 VanDerWaalsContact C-N 3.32Å; Q142-K144 PolarHBondContact O-N 3.26Å; K144-K148 WeakPolarHBondContact O-CG 3.5Å; K144-K148 PolarHBondContact O-N 3.07Å |
| 145 | L | 96.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 77.9 Ų | 77.9 | 52% | 0.524 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.2 | -49.1 | 174.8 | 176 | 64 | 0 | 0 | 0 | 111.4 | T141 Q142 C143 D147 K148 M149 | T141-L145 PolarHBondContact O-N 3.4Å; Q142-L145 WeakPolarHBondContact O-CB 3.28Å; Q142-L145 PolarHBondContact O-N 2.91Å; Q142-L145 VanDerWaalsContact O-N 3.11Å; C143-L145 VanDerWaalsContact C-N 3.29Å; C143-L145 PolarHBondContact O-N 2.95Å; L145-D147 VanDerWaalsContact C-N 3.25Å; L145-D147 PolarHBondContact O-N 3.11Å; L145-K148 WeakPolarHBondContact O-CA 3.18Å; L145-K148 WeakPolarHBondContact O-CB 3.4Å; L145-K148 PolarHBondContact O-N 3.12Å; L145-M149 HydrophobicContact CD1-CG 4.4Å; L145-M149 HydrophobicContact CD1-SD 4.25Å; L145-M149 HydrophobicContact CG-SD 4.01Å; L145-M149 WeakPolarHBondContact O-CG 3.33Å; L145-M149 PolarHBondContact O-N 2.71Å |
| 146 | L | 97.4 | Very high | 97 | Very high | 11 Ų | 11 | 80 Ų | 80 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 179.7 | -63.7 | 172.8 | 0 | 0 | 0 | 111.6 | V98 F102 W110 Q142 C143 K148 M149 T150 | V98-L146 HydrophobicContact CB-CD2 4.45Å; V98-L146 HydrophobicContact CG1-CB 4.49Å; V98-L146 HydrophobicContact CG1-CD2 3.74Å; V98-L146 HydrophobicContact CG2-CD2 3.9Å; F102-L146 HydrophobicContact CB-CD1 4.49Å; F102-L146 HydrophobicContact CD1-CD1 3.82Å; F102-L146 HydrophobicContact CD2-CD2 4.18Å; F102-L146 HydrophobicContact CE1-CD1 4.13Å; F102-L146 HydrophobicContact CE2-CD2 4.2Å; F102-L146 HydrophobicContact CG-CD1 4.08Å; F102-L146 HydrophobicContact CG-CD2 4.45Å; F102-L146 HydrophobicContact CZ-CD2 4.49Å; W110-L146 HydrophobicContact CB-CD1 3.9Å; W110-L146 HydrophobicContact CD2-CB 3.95Å; W110-L146 HydrophobicContact CD2-CD1 3.75Å; W110-L146 HydrophobicContact CD2-CG 4.5Å; W110-L146 HydrophobicContact CE3-CD1 4.12Å; W110-L146 HydrophobicContact CG-CB 4.32Å; W110-L146 HydrophobicContact CG-CD1 3.68Å; W110-L146 HydrophobicContact CH2-CB 4.41Å; W110-L146 HydrophobicContact CZ2-CB 3.82Å; Q142-L146 VanDerWaalsContact O-CG 3.28Å; Q142-L146 WeakPolarHBondContact O-CG 3.4Å; Q142-L146 PolarHBondContact O-N 2.9Å; C143-L146 PolarHBondContact O-N 3.36Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-K148 PolarHBondContact O-N 3.22Å; L146-M149 PolarHBondContact O-N 2.89Å; L146-M149 VanDerWaalsContact O-N 3.1Å; L146-T150 PolarHBondContact O-N 3.09Å; L146-T150 PolarHBondContact O-OG1 3.01Å |
| 147 | D | 97 | Very high | 97 | Very high | 37 Ų | 37 | 80.3 Ų | 80.3 | 20% | 0.198 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63 | -31.8 | 173.2 | -86.9 | 44.6 | 0 | 0 | 0 | 114 | R104 W110 C143 L145 K155 | R104-D147 IonicContact CZ-OD1 3.33Å; R104-D147 IonicContact CZ-OD2 3.45Å; R104-D147 IonicContact NH1-OD1 2.62Å; R104-D147 PolarHBondContact NH1-OD1 3.03Å; R104-D147 IonicContact NH1-OD2 3.17Å; R104-D147 PolarHBondContact NH1-OD2 3.02Å; R104-D147 VanDerWaalsContact NH1-OD2 3.17Å; R104-D147 IonicContact NH2-OD1 3.46Å; R104-D147 PolarHBondContact NH2-OD1 3.38Å; R104-D147 IonicContact NH2-OD2 2.84Å; R104-D147 PolarHBondContact NH2-OD2 3.44Å; W110-D147 PolarHBondContact NE1-OD1 3.4Å; C143-D147 WeakPolarHBondContact O-CB 3.44Å; C143-D147 PolarHBondContact O-N 3.32Å; L145-D147 VanDerWaalsContact C-N 3.25Å; L145-D147 PolarHBondContact O-N 3.11Å; D147-K155 PolarHBondContact O-NZ 3.37Å; D147-K155 IonicContact OD2-NZ 3.35Å; D147-K155 PolarHBondContact OD2-NZ 2.89Å |
| 148 | K | 96.1 | Very high | 96.8 | Very high | 121 Ų | 121 | 77 Ų | 77 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -77 | -35.9 | 172.1 | -69 | 175.7 | 178.2 | -167.4 | 0 | 110.2 | L82 R92 K144 L145 L146 T150 | L82-K148 WeakPolarHBondContact CD1-O 3.41Å; R92-K148 VanDerWaalsContact CZ-O 3.22Å; R92-K148 PolarHBondContact NE-O 3.42Å; R92-K148 PolarHBondContact NH2-O 3.31Å; K144-K148 WeakPolarHBondContact O-CG 3.5Å; K144-K148 PolarHBondContact O-N 3.07Å; L145-K148 WeakPolarHBondContact O-CA 3.18Å; L145-K148 WeakPolarHBondContact O-CB 3.4Å; L145-K148 PolarHBondContact O-N 3.12Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-K148 PolarHBondContact O-N 3.22Å; K148-T150 VanDerWaalsContact C-N 3.26Å; K148-T150 PolarHBondContact O-N 3.03Å |
| 149 | M | 96.6 | Very high | 96.8 | Very high | 35 Ų | 35 | 85.7 Ų | 85.7 | 17% | 0.172 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.6 | -16.5 | -179.2 | -66.6 | 178.2 | 74.6 | 0 | 0 | 114.1 | L82 S94 V95 V98 L145 L146 | L82-M149 HydrophobicContact CD1-CB 4.4Å; L82-M149 HydrophobicContact CD1-CG 4.14Å; S94-M149 WeakPolarHBondContact CA-O 3.27Å; V95-M149 HydrophobicContact CB-CE 3.95Å; V95-M149 HydrophobicContact CG1-CE 3.95Å; V95-M149 HydrophobicContact CG2-CB 4.17Å; V95-M149 HydrophobicContact CG2-CE 3.76Å; V95-M149 PolarHBondContact N-O 3.3Å; V95-M149 VanDerWaalsContact N-O 3.11Å; V98-M149 HydrophobicContact CG2-CB 4.06Å; V98-M149 HydrophobicContact CG2-CE 3.67Å; V98-M149 HydrophobicContact CG2-SD 4.05Å; L145-M149 HydrophobicContact CD1-CG 4.4Å; L145-M149 HydrophobicContact CD1-SD 4.25Å; L145-M149 HydrophobicContact CG-SD 4.01Å; L145-M149 WeakPolarHBondContact O-CG 3.33Å; L145-M149 PolarHBondContact O-N 2.71Å; L146-M149 PolarHBondContact O-N 2.89Å; L146-M149 VanDerWaalsContact O-N 3.1Å |
| 150 | T | 96.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 86.7 Ų | 86.7 | 3% | 0.025 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -113.1 | 153.6 | -178.2 | 53 | 0 | 0 | 0 | 0 | 112.5 | V98 W110 L146 K148 | V98-T150 HydrophobicContact CB-CG2 4.26Å; V98-T150 HydrophobicContact CG1-CG2 3.72Å; W110-T150 HydrophobicContact CH2-CG2 3.77Å; W110-T150 HydrophobicContact CZ2-CG2 4.29Å; L146-T150 PolarHBondContact O-N 3.09Å; L146-T150 PolarHBondContact O-OG1 3.01Å; K148-T150 VanDerWaalsContact C-N 3.26Å; K148-T150 PolarHBondContact O-N 3.03Å |
| 151 | S | 96 | Very high | 96.7 | Very high | 27 Ų | 27 | 84.8 Ų | 84.8 | 19% | 0.189 | 40% | 0.398 | C | S | . | . | trans | -84.1 | 167.5 | 175.7 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | Y153 W154 | S151-Y153 PolarHBondContact O-N 3.16Å; S151-W154 PolarHBondContact O-N 2.77Å | ||
| 152 | S | 95.4 | Very high | 96.5 | Very high | 100 Ų | 100 | 86.6 Ų | 86.6 | 70% | 0.699 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -58.3 | -28.6 | 175.8 | 51 | 0 | 0 | 0 | 0 | 113.4 | W154 K155 R156 | S152-W154 PolarHBondContact O-N 3.03Å; S152-K155 WeakPolarHBondContact O-CB 3.41Å; S152-K155 PolarHBondContact O-N 3.22Å; S152-R156 PolarHBondContact O-N 2.92Å |
| 153 | Y | 96.1 | Very high | 96.5 | Very high | 127 Ų | 127 | 84.8 Ų | 84.8 | 50% | 0.498 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -52.3 | -38.5 | 175.5 | 175.9 | -96.6 | 0 | 0 | 0 | 112.9 | S151 K155 R156 | S151-Y153 PolarHBondContact O-N 3.16Å; Y153-K155 VanDerWaalsContact C-N 3.28Å; Y153-K155 PolarHBondContact O-N 3.15Å; Y153-R156 WeakPolarHBondContact O-CD 3.3Å; Y153-R156 WeakPolarHBondContact O-CG 3.44Å; Y153-R156 PolarHBondContact O-NE 3.09Å; Y153-R156 PolarHBondContact OH-NH2 3.4Å |
| 154 | W | 96.1 | Very high | 96.4 | Very high | 105 Ų | 105 | 88.7 Ų | 88.7 | 40% | 0.398 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -81.6 | -7 | 179.8 | -64.4 | 103.3 | 0 | 0 | 0 | 113.8 | T99 S151 S152 | T99-W154 HydrophobicContact CG2-CD2 3.71Å; T99-W154 HydrophobicContact CG2-CE3 4.11Å; T99-W154 HydrophobicContact CG2-CG 4.27Å; T99-W154 HydrophobicContact CG2-CH2 3.94Å; T99-W154 HydrophobicContact CG2-CZ2 3.53Å; T99-W154 HydrophobicContact CG2-CZ3 4.22Å; S151-W154 PolarHBondContact O-N 2.77Å; S152-W154 PolarHBondContact O-N 3.03Å |
| 155 | K | 95.8 | Very high | 96.3 | Very high | 75 Ų | 75 | 85.1 Ų | 85.1 | 33% | 0.326 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -99 | -9.2 | -180 | -54.5 | -174.4 | -173.4 | -171.9 | 0 | 112.4 | D147 S152 Y153 | D147-K155 PolarHBondContact O-NZ 3.37Å; D147-K155 IonicContact OD2-NZ 3.35Å; D147-K155 PolarHBondContact OD2-NZ 2.89Å; S152-K155 WeakPolarHBondContact O-CB 3.41Å; S152-K155 PolarHBondContact O-N 3.22Å; Y153-K155 VanDerWaalsContact C-N 3.28Å; Y153-K155 PolarHBondContact O-N 3.15Å |
| 156 | R | 96.8 | Very high | 96.3 | Very high | 126 Ų | 126 | 82.3 Ų | 82.3 | 48% | 0.475 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -64.9 | 149.5 | 179.8 | 75.9 | -165.5 | 175.9 | 112.5 | -5.4 | 111.4 | S152 Y153 | S152-R156 PolarHBondContact O-N 2.92Å; Y153-R156 WeakPolarHBondContact O-CD 3.3Å; Y153-R156 WeakPolarHBondContact O-CG 3.44Å; Y153-R156 PolarHBondContact O-NE 3.09Å; Y153-R156 PolarHBondContact OH-NH2 3.4Å |
| 157 | R | 96.8 | Very high | 96.2 | Very high | 52 Ų | 52 | 89 Ų | 89 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | trans | -70.2 | 132.5 | 170.7 | -172.8 | 62 | 174.4 | -129.3 | 3.5 | 109.5 | W159 H169 D170 | R157-W159 HydrophobicContact CG-CZ2 4.14Å; R157-H169 VanDerWaalsContact CZ-CB 3.42Å; R157-H169 VanDerWaalsContact NH1-CB 3.35Å; R157-D170 IonicContact CZ-OD1 3.8Å; R157-D170 IonicContact CZ-OD2 3.28Å; R157-D170 VanDerWaalsContact CZ-OD2 3.28Å; R157-D170 IonicContact NH1-OD1 2.74Å; R157-D170 PolarHBondContact NH1-OD1 3.23Å; R157-D170 IonicContact NH1-OD2 2.94Å; R157-D170 PolarHBondContact NH1-OD2 3.22Å; R157-D170 IonicContact NH2-OD2 2.75Å; R157-D170 PolarHBondContact NH2-OD2 3.31Å | ||
| 158 | N | 95.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 92.9 Ų | 92.9 | 23% | 0.225 | 43% | 0.43 | C | S | . | . | trans | -115.1 | 149.3 | 172.3 | -59.2 | -49.9 | 0 | 0 | 0 | 109.1 | F160 | N158-F160 HydrophobicContact CB-CD2 3.85Å; N158-F160 HydrophobicContact CB-CE1 4.32Å; N158-F160 HydrophobicContact CB-CE2 3.4Å; N158-F160 VanDerWaalsContact CB-CE2 3.4Å; N158-F160 HydrophobicContact CB-CG 4.49Å; N158-F160 HydrophobicContact CB-CZ 3.67Å | ||
| 159 | W | 96.4 | Very high | 96.2 | Very high | 193 Ų | 193 | 87.7 Ų | 87.7 | 73% | 0.731 | 41% | 0.408 | S | S | * | . | trans | -126.4 | 71.3 | 177.7 | -65.7 | 102.5 | 0 | 0 | 0 | 108.5 | R157 | R157-W159 HydrophobicContact CG-CZ2 4.14Š| ||
| 160 | F | 96 | Very high | 96.2 | Very high | 126 Ų | 126 | 90 Ų | 90 | 55% | 0.553 | 42% | 0.421 | S | S | * | . | trans | -77.6 | 144.6 | 179.3 | -61.3 | -59 | 0 | 0 | 0 | 110.4 | N158 N162 D163 | N158-F160 HydrophobicContact CB-CD2 3.85Å; N158-F160 HydrophobicContact CB-CE1 4.32Å; N158-F160 HydrophobicContact CB-CE2 3.4Å; N158-F160 VanDerWaalsContact CB-CE2 3.4Å; N158-F160 HydrophobicContact CB-CG 4.49Å; N158-F160 HydrophobicContact CB-CZ 3.67Å; F160-N162 PolarHBondContact O-N 2.96Å; F160-D163 HydrophobicContact CB-CB 4.07Å | ||
| 161 | L | 97.4 | Very high | 96.1 | Very high | 157 Ų | 157 | 96.8 Ų | 96.8 | 82% | 0.822 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 128.4 | 174.2 | -173.1 | 67.1 | 0 | 0 | 0 | 109.5 | D163 | L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.34Å |
| 162 | N | 95.8 | Very high | 96.1 | Very high | 148 Ų | 148 | 101 Ų | 101 | 79% | 0.791 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 34.9 | 176.6 | -58.1 | -31 | 0 | 0 | 0 | 115.2 | F160 P164 | F160-N162 PolarHBondContact O-N 2.96Å; N162-P164 WeakPolarHBondContact O-CD 3.46Å |
| 163 | D | 95.6 | Very high | 95.9 | Very high | 38 Ų | 38 | 104 Ų | 104 | 20% | 0.203 | 48% | 0.478 | C | S | . | . | trans | -70.6 | 119.2 | 175.2 | -175.8 | -2.2 | 0 | 0 | 0 | 111.5 | F160 L161 Y165 Q166 | F160-D163 HydrophobicContact CB-CB 4.07Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.34Å; D163-Y165 PolarHBondContact O-N 3.02Å; D163-Y165 VanDerWaalsContact O-N 3.1Å; D163-Y165 WeakPolarHBondContact OD1-CD2 3.3Å; D163-Y165 PolarHBondContact OD1-N 3.24Å; D163-Q166 HydrophobicContact CB-CB 4.37Å; D163-Q166 WeakPolarHBondContact O-CB 3.36Å; D163-Q166 PolarHBondContact O-N 3.32Å | ||
| 164 | P | 96.6 | Very high | 95.2 | Very high | 94 Ų | 94 | 106 Ų | 106 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.5 | 176.6 | 26.2 | -36 | 0 | 0 | 0 | 113.6 | N162 | N162-P164 WeakPolarHBondContact O-CD 3.46Š|
| 165 | Y | 96.6 | Very high | 95.2 | Very high | 70 Ų | 70 | 106.1 Ų | 106.1 | 28% | 0.275 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.1 | -178.1 | -60.7 | -73.7 | 0 | 0 | 0 | 114.6 | M103 I111 I135 D163 K167 Y168 H169 | M103-Y165 HydrophobicContact CE-CD1 3.7Å; M103-Y165 HydrophobicContact CE-CD2 3.55Å; M103-Y165 HydrophobicContact CE-CE1 4.16Å; M103-Y165 HydrophobicContact CE-CE2 4.02Å; M103-Y165 HydrophobicContact CE-CG 3.36Å; M103-Y165 HydrophobicContact SD-CD2 3.7Å; M103-Y165 HydrophobicContact SD-CE2 3.78Å; M103-Y165 HydrophobicContact SD-CG 4.17Å; I111-Y165 HydrophobicContact CD1-CD1 4.16Å; I111-Y165 HydrophobicContact CD1-CE1 3.84Å; I135-Y165 HydrophobicContact CD1-CE1 4.35Å; I135-Y165 WeakPolarHBondContact CD1-OH 3.44Å; D163-Y165 PolarHBondContact O-N 3.02Å; D163-Y165 VanDerWaalsContact O-N 3.1Å; D163-Y165 WeakPolarHBondContact OD1-CD2 3.3Å; D163-Y165 PolarHBondContact OD1-N 3.24Å; Y165-K167 PolarHBondContact O-N 2.74Å; Y165-K167 VanDerWaalsContact O-N 3.1Å; Y165-Y168 HydrophobicContact CD1-CD2 4.23Å; Y165-Y168 PolarHBondContact O-N 3.44Å; Y165-H169 PolarHBondContact O-CD2 3.04Å; Y165-H169 VanDerWaalsContact O-CD2 3.23Å |
| 166 | Q | 95.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 107.7 Ų | 107.7 | 19% | 0.192 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -50.9 | -43.7 | -172.5 | -170.8 | 60.3 | 20.4 | 0 | 0 | 113.1 | D163 Y168 H169 | D163-Q166 HydrophobicContact CB-CB 4.37Å; D163-Q166 WeakPolarHBondContact O-CB 3.36Å; D163-Q166 PolarHBondContact O-N 3.32Å; Q166-Y168 PolarHBondContact O-N 3.45Å; Q166-H169 PolarHBondContact O-N 3.27Å |
| 167 | K | 95.8 | Very high | 95.1 | Very high | 152 Ų | 152 | 106.7 Ų | 106.7 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -63.5 | -19.7 | 179.6 | 59.4 | 173.9 | 163.5 | 171.4 | 0 | 115.3 | Y165 | Y165-K167 PolarHBondContact O-N 2.74Å; Y165-K167 VanDerWaalsContact O-N 3.1Å |
| 168 | Y | 96.4 | Very high | 95 | Very high | 117 Ų | 117 | 109.9 Ų | 109.9 | 46% | 0.459 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -97.9 | -2.6 | -176.3 | -56.3 | -66.1 | 0 | 0 | 0 | 113.2 | C107 Y165 Q166 D170 | C107-Y168 PolarHBondContact SG-O 3.49Å; C107-Y168 VanDerWaalsContact SG-O 3.4Å; Y165-Y168 HydrophobicContact CD1-CD2 4.23Å; Y165-Y168 PolarHBondContact O-N 3.44Å; Q166-Y168 PolarHBondContact O-N 3.45Å; Y168-D170 VanDerWaalsContact C-N 3.27Å; Y168-D170 PolarHBondContact O-N 3.33Å |
| 169 | H | 96.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 114.1 Ų | 114.1 | 6% | 0.06 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -70.7 | -24.6 | 179.5 | -80.1 | -89.6 | 0 | 0 | 0 | 113 | H106 C107 R157 Y165 Q166 | H106-H169 CarbonylContact C-O 3.53Å; H106-H169 HydrophobicContact CB-CB 3.94Å; H106-H169 PolarHBondContact N-ND1 3.11Å; H106-H169 VanDerWaalsContact N-ND1 3.18Å; C107-H169 WeakPolarHBondContact CA-O 3.46Å; C107-H169 WeakPolarHBondContact CB-O 3.47Å; C107-H169 PolarHBondContact N-O 3.04Å; R157-H169 VanDerWaalsContact CZ-CB 3.42Å; R157-H169 VanDerWaalsContact NH1-CB 3.35Å; Y165-H169 PolarHBondContact O-CD2 3.04Å; Y165-H169 VanDerWaalsContact O-CD2 3.23Å; Q166-H169 PolarHBondContact O-N 3.27Å |
| 170 | D | 96.1 | Very high | 94.8 | Very high | 84 Ų | 84 | 108.9 Ų | 108.9 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -114.2 | 143.4 | 176.2 | -57.5 | -50.4 | 0 | 0 | 0 | 109.8 | H106 R157 Y168 | H106-D170 IonicContact ND1-OD1 3.96Å; R157-D170 IonicContact CZ-OD1 3.8Å; R157-D170 IonicContact CZ-OD2 3.28Å; R157-D170 VanDerWaalsContact CZ-OD2 3.28Å; R157-D170 IonicContact NH1-OD1 2.74Å; R157-D170 PolarHBondContact NH1-OD1 3.23Å; R157-D170 IonicContact NH1-OD2 2.94Å; R157-D170 PolarHBondContact NH1-OD2 3.22Å; R157-D170 IonicContact NH2-OD2 2.75Å; R157-D170 PolarHBondContact NH2-OD2 3.31Å; Y168-D170 VanDerWaalsContact C-N 3.27Å; Y168-D170 PolarHBondContact O-N 3.33Å |
| 171 | R | 94.4 | Very high | 94.7 | Very high | 146 Ų | 146 | 107.6 Ų | 107.6 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | trans | -100.1 | 133.6 | 174.3 | -63.7 | 171.4 | 84.2 | -155.2 | -11.4 | 108.3 | C107 L174 | C107-R171 HydrophobicContact CB-CG 3.66Å; R171-L174 HydrophobicContact CB-CD1 3.26Å; R171-L174 HydrophobicContact CB-CG 4.24Å; R171-L174 HydrophobicContact CG-CD1 3.94Å; R171-L174 VanDerWaalsContact NE-CD1 3.28Å | ||
| 172 | V | 95.3 | Very high | 94.5 | Very high | 114 Ų | 114 | 103.8 Ų | 103.8 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | trans | -109.8 | 149.9 | 177.1 | -63.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 173 | N | 92.3 | Very high | 94.4 | Very high | 163 Ų | 163 | 100.2 Ų | 100.2 | 87% | 0.872 | 49% | 0.493 | S | S | * | . | trans | 57.6 | 63.7 | 174 | -50.9 | -31.9 | 0 | 0 | 0 | 114.1 | ||||
| 174 | L | 81.9 | Confident | 94.3 | Very high | 170 Ų | 170 | 105.8 Ų | 105.8 | 89% | 0.89 | 52% | 0.519 | S | S | * | . | trans | -127.2 | 0 | 179.7 | -74.5 | 172.8 | 0 | 0 | 0 | 113.4 | R171 | R171-L174 HydrophobicContact CB-CD1 3.26Å; R171-L174 HydrophobicContact CB-CG 4.24Å; R171-L174 HydrophobicContact CG-CD1 3.94Å; R171-L174 VanDerWaalsContact NE-CD1 3.28Å |
Retrieved 174 of 174 residues in 247.7 ms
(Link to these results)